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MD

Benchmarks

Task NameDataset NameSOTA ResultTrend
Energy PredictionrMD17
Aspirin MAE (meV)2.1
10
Markdown conversionMD 82 images (val)
F1 Score86.71
5
SCF convergenceMD17 ethanol
Avg Iteration Reduction68.6
3
Hamiltonian Dynamics ModelingMD 16 particles
Rec MSE (10^-7)5.78
2
Hamiltonian Dynamics ModelingMD 4 particles
Rec MSE (10^-7)23.41
2
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